CAS RN: 2432-77-1
S-Methyl thiohexanoate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260616 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2432-77-1
- Purity/Analytical Methods: >99.0%
2432-77-1 / S-methyl hexanethioate
Basic Information
CAS
2432-77-1
Multi CAS
No
Molecular Formula
C7H14OS
Molecular Weight
146.250000
Exact Mass
146.076536
SMILES
CCCCCC(=O)SC
InChI
InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey
AKGAHYLJHAOPKQ-UHFFFAOYSA-N
Physical Properties
Boiling Point
120.00 to 122.00 °C. @ 0.00 mm Hg
Density
0.829-0.834
Physical Description
colourless to pale yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
42.66
TPSA
17.07
LogP / Solubility
WLOGP
2.46
MLOGP
2.16
XLogP3
2.6
Consensus LogP
2.41
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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